CHEBI:38760 - mellein

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ChEBI Name mellein ChEBI ID CHEBI:38760 Definition An isochromane that is 3,4-dihydroisocoumarin bearing methyl and hydroxy substituents at positions 3 and 8 respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H10O3 Net Charge 0 Average Mass 178.18460 Monoisotopic Mass 178.06299 InChI InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3 InChIKey KWILGNNWGSNMPA-UHFFFAOYSA-N SMILES CC1Cc2cccc(O)c2C(=O)O1 ChEBI Ontology Outgoing mellein (CHEBI:38760) has functional parent isocoumarin (CHEBI:38759) mellein (CHEBI:38760) is a isochromanes (CHEBI:38762) Incoming (R)-6-methoxymellein (CHEBI:2212) has functional parent mellein (CHEBI:38760) 4-hydroxymellein (CHEBI:141335) has functional parent mellein (CHEBI:38760) 6-hydroxymellein (CHEBI:16368) has functional parent mellein (CHEBI:38760) 6-methoxymellein (CHEBI:16252) has functional parent mellein (CHEBI:38760) 7-methylmellein (CHEBI:192524) has functional parent mellein (CHEBI:38760) IUPAC Name 8-hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one Synonyms Sources 3,4-Dihydro-8-hydroxy-3-methyl-(1H)-2-benzopyran-1-one NIST Chemistry WebBook 3,4-dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one NIST Chemistry WebBook 3,4-Dihydro-8-hydroxy-3-methylisocoumarin ChemIDplus 8-hydroxy-3-methylisochroman-1-one ChEBI Ochracin ChemIDplus Registry Numbers Types Sources 17397-85-2 CAS Registry Number NIST Chemistry WebBook 17397-85-2 CAS Registry Number ChemIDplus 83703 Reaxys Registry Number Reaxys Citations Types Sources 17363259 PubMed citation Europe PMC 18213494 PubMed citation Europe PMC 18838830 PubMed citation Europe PMC 19072711 PubMed citation Europe PMC 20479969 PubMed citation Europe PMC Last Modified 06 July 2022